≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tipelukast (KCA 757) is a sulfidopeptide leukotriene receptor antagonist, an orally bioavailable anti-inflammatory agent and used for the treatment of asthma.
In Vitro
Tipelukast inhibits the binding of [ 3 H] LTD4 to the LTD4 receptors on pul-monary cell membrane of guinea-pigs (IC 50 = 2.3 μmol). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Fiftheen min after an aerosolized antigen challenge, and UNDW inhaled 5 min later into the guinea pigs, Tipelukast significantly alters the UNDW-induced bronchoconstriction . Tipelukast (1 and 5 mg/kg) administered intravenously 15 min after antigen challenge reduces the propranolol-induced bronchoconstriction (PIB) in a dose-dependent manner in guinea-pigs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:LTD 4 6.41 (pA2, In guinea-pigs) LTE 4 6.45 (pA2, In guinea-pigs)
| Canonical Smiles | CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC |
|---|---|
| IUPAC Name | 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid |
| InChIKey | KPWYNAGOBXLMSE-UHFFFAOYSA-N |
| INCHI | 1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33) |
| Isomeric SMILES | CCCC1=C(C=CC(=C1OCCCC(=O)O)C(=O)C)OCCCSC2=C(C(=C(C=C2)C(=O)C)O)CCC |
| Alternate CAS | 125961-82-2 |
| PubChem CID | 9893228 |
| MeSH Entry Terms | 4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid;KCA 757;KCA-757;KCA757;MN 001;MN-001;MN001 cpd |
| Molecular Weight | 530.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Thiophenol ethers Alkyl aryl ethers Alkylarylthioethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Phenylpropane - Phenoxy compound - Aryl thioether - Aryl alkyl ketone - Thiophenol ether - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Solubility | Ethanol : 1 mg/mL (1.88 mM; Need ultrasonic and warming) |
|---|---|
| Molecular Weight | 530.700 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 17 |
| Exact Mass | 530.234 Da |
| Monoisotopic Mass | 530.234 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 714.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
